ethyl 2-[(3-bromopyridine-2-carbonyl)amino]-5-methylthiophene-3-carboxylate

C14H13BrN2O3S — CID 107518988

IUPACethyl 2-[(3-bromopyridine-2-carbonyl)amino]-5-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1cc(C)sc1NC(=O)c1ncccc1Br
InChIInChI=1S/C14H13BrN2O3S/c1-3-20-14(19)9-7-8(2)21-13(9)17-12(18)11-10(15)5-4-6-16-11/h4-7H,3H2,1-2H3,(H,17,18)
InChIKeyVBSHAPHZXUJJQZ-UHFFFAOYSA-N
MW369.24 g/mol
LogP3.64
Rot. Bonds4

About ethyl 2-[(3-bromopyridine-2-carbonyl)amino]-5-methylthiophene-3-carboxylate

ethyl 2-[(3-bromopyridine-2-carbonyl)amino]-5-methylthiophene-3-carboxylate (PubChem CID 107518988) has the molecular formula C14H13BrN2O3S and a molecular weight of 369.24 g/mol. Its IUPAC name is ethyl 2-[(3-bromopyridine-2-carbonyl)amino]-5-methylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(3-bromopyridine-2-carbonyl)amino]-5-methylthiophene-3-carboxylate
PubChem CID107518988
Molecular FormulaC14H13BrN2O3S
Molecular Weight369.24 g/mol
Exact Mass367.98
IUPAC Nameethyl 2-[(3-bromopyridine-2-carbonyl)amino]-5-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1cc(C)sc1NC(=O)c1ncccc1Br
InChIInChI=1S/C14H13BrN2O3S/c1-3-20-14(19)9-7-8(2)21-13(9)17-12(18)11-10(15)5-4-6-16-11/h4-7H,3H2,1-2H3,(H,17,18)
InChIKeyVBSHAPHZXUJJQZ-UHFFFAOYSA-N
XLogP3.64
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.24
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[(3-bromopyridine-2-carbonyl)amino]-5-methylthiophene-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 5-methyl-2-(pyridine-2-carbonylamino)thiophene-3-carboxylate
CID 60795103
ethyl 2-[(4-bromobenzoyl)amino]-5-methylthiophene-3-carboxylate
CID 1038105
ethyl 2-[(5-bromothiophene-3-carbonyl)amino]-5-methylthiophene-3-carboxylate
CID 60793261
ethyl 2-[(2-fluorobenzoyl)amino]-5-methylthiophene-3-carboxylate
CID 759964
ethyl 5-methyl-2-(thiadiazole-4-carbonylamino)thiophene-3-carboxylate
CID 65216558
ethyl 2-[(3-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylate
CID 63616683
ethyl 5-methyl-2-[(2-pyridin-2-ylsulfanylacetyl)amino]thiophene-3-carboxylate
CID 6467819
ethyl 5-methyl-2-[(1-methylpyrrole-2-carbonyl)amino]thiophene-3-carboxylate
CID 60795100
ethyl 5-methyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]thiophene-3-carboxylate
CID 63617190
ethyl 2-[(5-chlorofuran-2-carbonyl)amino]-5-methylthiophene-3-carboxylate
CID 60794401
3-bromo-N-ethoxypyridine-2-carboxamide
CID 107519636
ethyl 2-(2-bromobutanoylamino)-5-methylthiophene-3-carboxylate
CID 63617193

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-bromopyridine-2-carbonyl)amino]-5-methylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-[(3-bromopyridine-2-carbonyl)amino]-5-methylthiophene-3-carboxylate (CID 107518988) is ethyl 2-[(3-bromopyridine-2-carbonyl)amino]-5-methylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[(3-bromopyridine-2-carbonyl)amino]-5-methylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[(3-bromopyridine-2-carbonyl)amino]-5-methylthiophene-3-carboxylate is CCOC(=O)c1cc(C)sc1NC(=O)c1ncccc1Br.
What is the InChIKey of ethyl 2-[(3-bromopyridine-2-carbonyl)amino]-5-methylthiophene-3-carboxylate?
The InChIKey is VBSHAPHZXUJJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3S/c1-3-20-14(19)9-7-8(2)21-13(9)17-12(18)11-10(15)5-4-6-16-11/h4-7H,3H2,1-2H3,(H,17,18).
What are the key properties of ethyl 2-[(3-bromopyridine-2-carbonyl)amino]-5-methylthiophene-3-carboxylate?
ethyl 2-[(3-bromopyridine-2-carbonyl)amino]-5-methylthiophene-3-carboxylate has a molecular weight of 369.24 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-bromopyridine-2-carbonyl)amino]-5-methylthiophene-3-carboxylate is sourced from PubChem (CID 107518988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).